N-(2-nitrophenyl)-9-prop-2-enyl-3-thia-9-azabicyclo[3.3.1]nonan-7-amine

Systemtic Name: N-(2-nitrophenyl)-9-prop-2-enyl-3-thia-9-azabicyclo[3.3.1]nonan-7-amine Openeye Name: 9-allyl-N-(2-nitrophenyl)-3-thia-9-azabicyclo[3.3.1]nonan-7-amine CAS Name: N-(2-nitrophenyl)-9-prop-2-enyl-3-thia-9-azabicyclo[3.3.1]nonan-7-amine IUPAC Name: N-(2-nitrophenyl)-9-prop-2-enyl-3-thia-9-azabicyclo[3.3.1]nonan-7-amine Traditional Name: (9-allyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)-(2-nitrophenyl)amine Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2CC(CC1CSC2)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C=CCN1C2CC(CC1CSC2)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O2S/c1-2-7-18-13-8-12(9-14(18)11-22-10-13)17-15-5-3-4-6-16(15)19(20)21/h2-6,12-14,17H,1,7-11H2